Geometry & MOs

Info

ID:	22665
PubChem CID:	598312
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	3.52
IP(EA), eV:	-8.12(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl)methyl acetate

Drug info:

PubChemData

Smile

CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)COC(=O)C

DOS

IR

Vibrations